Biblio

Found 219 results
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A
Ab initio study of the structural, tautomeric, pairing, and electronic properties of seleno-derivatives of thymine., Vázquez-Mayagoitia, Alvaro, Huertas Oscar, Brancolini Giorgia, Migliore Agostino, Sumpter Bobby G., Orozco Modesto, F Luque Javier, Di Felice Rosa, and Fuentes-Cabrera Miguel , J Phys Chem B, 2009 Oct 29, Volume 113, p.14465-72, (2009)
Adenovirus-mediated wt-p16 reintroduction induces cell cycle arrest or apoptosis in pancreatic cancer., Calbó, J, Marotta M, Cascalló M, Roig J M., Gelpí Josep-Lluis, Fueyo J, and Mazo A , Cancer Gene Ther, 2001 Oct, Volume 8, p.740-50, (2001)
Adenovirus-mediated wt-p16 reintroduction induces cell cycle arrest or apoptosis in pancreatic cancer., Calbó, J, Marotta M, Cascalló M, Roig J M., Gelpí Josep-Lluis, Fueyo J, and Mazo A , Cancer Gene Ther, 2001 Oct, Volume 8, p.740-50, (2001)
Another Coarse Grain Model for Aqueous Solvation: WAT FOUR?, Darré, Leonardo, Machado Matias R., Dans Pablo Daniel, Herrera Fernando E., and Pantano Sergio , Journal of Chemical Theory and Computation, Volume 6, Number 12, p.3793–3807, (2010)
Assessing the Accuracy of the SIRAH Force Field to Model DNA at Coarse Grain Level, Dans, Pablo Daniel, Darré Leonardo, Machado Matias R., Zeida Ari, Brandner Astrid F., and Pantano Sergio , Advances in Bioinformatics and Computational Biology, p.71–81, (2013)
An atomistic view to the gas phase proteome., Meyer, Tim, de la Cruz Xavier, and Orozco Modesto , Structure, 2009 Jan 14, Volume 17, p.88-95, (2009)
AutoDock Bias: improving binding mode prediction and virtual screening using known protein–ligand interactions, Arcon, Juan Pablo, Modenutti Carlos P., Avendaño Demian, Lopez Elias D., Defelipe Lucas A., Ambrosio Francesca Alessandra, Turjanski Adrian G., Forli Stefano, and Martí Marcelo A. , Bioinformatics, 2019, Volume 35, Issue 19, p.3836 - 3838, (2019)
AutoDock Bias: improving binding mode prediction and virtual screening using known protein–ligand interactions, Arcon, Juan Pablo, Modenutti Carlos P., Avendaño Demian, Lopez Elias D., Defelipe Lucas A., Ambrosio Francesca Alessandra, Turjanski Adrian G., Forli Stefano, and Martí Marcelo A. , Bioinformatics, 2019, Volume 35, Issue 19, p.3836 - 3838, (2019)
C
The catalytic site structural gate of adenosine deaminase allosterically modulates ligand binding to adenosine receptors., Gracia, Eduard, Farré Daniel, Cortés Antoni, Ferrer-Costa Carles, Orozco Modesto, Mallol Josefa, Lluís Carme, Canela Enric I., McCormick Peter J., Franco Rafael, et al. , FASEB J, 2013 Mar, Volume 27, p.1048-61, (2013)
The catalytic site structural gate of adenosine deaminase allosterically modulates ligand binding to adenosine receptors., Gracia, Eduard, Farré Daniel, Cortés Antoni, Ferrer-Costa Carles, Orozco Modesto, Mallol Josefa, Lluís Carme, Canela Enric I., McCormick Peter J., Franco Rafael, et al. , FASEB J, 2013 Mar, Volume 27, p.1048-61, (2013)
Challenges and guidelines toward 4D nucleome data and model standards, Marti-Renom, Marc A., Almouzni Genevieve, Bickmore Wendy A., Bystricky Kerstin, Cavalli Giacomo, Fraser Peter, Gasser Susan M., Giorgetti Luca, Heard Edith, Nicodemi Mario, et al. , Nature Genetics, 10/2018, Volume 50, Issue 10, p.1352 - 1358, (2018)
Characterization of p38α autophosphorylation inhibitors that target the non-canonical activation pathway, González, Lorena, Díaz Lucía, Pous Joan, Baginski Blazej, Duran-Corbera Anna, Scarpa Margherita, Brun-Heath Isabelle, Igea Ana, Martin-Malpartida Pau, Ruiz Lidia, et al. , Nature Communications, 06/2023, Volume 14, Issue 1, p.3318, (2023)
Characterization of p38α autophosphorylation inhibitors that target the non-canonical activation pathway, González, Lorena, Díaz Lucía, Pous Joan, Baginski Blazej, Duran-Corbera Anna, Scarpa Margherita, Brun-Heath Isabelle, Igea Ana, Martin-Malpartida Pau, Ruiz Lidia, et al. , Nature Communications, 06/2023, Volume 14, Issue 1, p.3318, (2023)
Characterization of p38α autophosphorylation inhibitors that target the non-canonical activation pathway, González, Lorena, Díaz Lucía, Pous Joan, Baginski Blazej, Duran-Corbera Anna, Scarpa Margherita, Brun-Heath Isabelle, Igea Ana, Martin-Malpartida Pau, Ruiz Lidia, et al. , Nature Communications, 06/2023, Volume 14, Issue 1, p.3318, (2023)
Characterization of the impact of alternative splicing on protein dynamics: the cases of glutathione S-transferase and ectodysplasin-A isoforms., Barbany, Montserrat, Morata Jordi, Meyer Tim, Lois Sergi, Orozco Modesto, and de la Cruz Xavier , Proteins, 2012 Aug, Volume 80, p.2235-49, (2012)
Characterization of the impact of alternative splicing on protein dynamics: the cases of glutathione S-transferase and ectodysplasin-A isoforms., Barbany, Montserrat, Morata Jordi, Meyer Tim, Lois Sergi, Orozco Modesto, and de la Cruz Xavier , Proteins, 2012 Aug, Volume 80, p.2235-49, (2012)
A coarse grained model for atomic-detailed DNA simulations with explicit electrostatics, Dans, Pablo Daniel, Zeida Ari, Machado Matías R., and Pantano Sergio , Journal of Chemical Theory and Computation, Volume 6, Number 5, p.1711–1725, (2010)
Colibactin DNA-damage signature indicates mutational impact in colorectal cancer, Dziubańska-Kusibab, Paulina J., Berger Hilmar, Battistini Federica, Bouwman Britta A. M., Iftekhar Amina, Katainen Riku, Cajuso Tatiana, Crosetto Nicola, Orozco Modesto, Aaltonen Lauri A., et al. , Nature Medicine, 07/2020, Volume 26, Issue 7, p.1063 - 1069, (2020)
Comprehensive characterization of complex structural variations in cancer by directly comparing genome sequence reads., Moncunill, Valentí, González Santi, Beà Sílvia, Andrieux Lise O., Salaverria Itziar, Royo Cristina, Martinez Laura, Puiggròs Montserrat, Segura-Wang Maia, Stütz Adrian M., et al. , Nat Biotechnol, 2014 Nov, Volume 32, p.1106-12, (2014)
Comprehensive characterization of complex structural variations in cancer by directly comparing genome sequence reads., Moncunill, Valentí, González Santi, Beà Sílvia, Andrieux Lise O., Salaverria Itziar, Royo Cristina, Martinez Laura, Puiggròs Montserrat, Segura-Wang Maia, Stütz Adrian M., et al. , Nat Biotechnol, 2014 Nov, Volume 32, p.1106-12, (2014)
A computational and experimental study of O-glycosylation. Catalysis by human UDP-GalNAc polypeptide:GalNAc transferase-T2., Gómez, Hansel, Rojas Raúl, Patel Divya, Tabak Lawrence A., Lluch José M., and Masgrau Laura , Org Biomol Chem, 2014 May 7, Volume 12, p.2645-55, (2014)
Conformationally rigid nucleoside probes help understand the role of sugar pucker and nucleobase orientation in the thrombin-binding aptamer., Saneyoshi, Hisao, Mazzini Stefania, Aviñó Anna, Portella Guillem, González Carlos, Orozco Modesto, Marquez Victor E., and Eritja Ramon , Nucleic Acids Res, 2009 Sep, Volume 37, p.5589-601, (2009)
Conformationally rigid nucleoside probes help understand the role of sugar pucker and nucleobase orientation in the thrombin-binding aptamer., Saneyoshi, Hisao, Mazzini Stefania, Aviñó Anna, Portella Guillem, González Carlos, Orozco Modesto, Marquez Victor E., and Eritja Ramon , Nucleic Acids Res, 2009 Sep, Volume 37, p.5589-601, (2009)
Connecting proline and γ-aminobutyric acid in stressed plants through non-enzymatic reactions., Signorelli, Santiago, Dans Pablo D., E Coitiño Laura, Borsani Omar, and Monza Jorge , PLoS One, 2015, Volume 10, p.e0115349, (2015)
A consensus view of protein dynamics., Rueda, Manuel, Ferrer-Costa Carles, Meyer Tim, Pérez Alberto, Camps Jordi, Hospital Adam, Gelpí Josep-Lluis, and Orozco Modesto , Proc Natl Acad Sci U S A, 2007 Jan 16, Volume 104, p.796-801, (2007)
Continuum and discrete calculation of fractional contributions to solvation free energy., Morreale, Antonio, Gelpí Josep-Lluis, F Luque Javier, and Orozco Modesto , J Comput Chem, 2003 Oct, Volume 24, p.1610-23, (2003)
D
DASiR: Distributed Annotation System in R, Flores, Oscar, and Mantsoki Anna , (2013)
Data mining of molecular dynamics trajectories of nucleic acids., Noy, Agnes, Meyer Tim, Rueda Manuel, Ferrer Carles, Valencia Antonion, Pérez Alberto, de la Cruz Xavier, López-Bes J M., Pouplana R, Fernandez-Recio J, et al. , J Biomol Struct Dyn, 2006 Feb, Volume 23, p.447-56, (2006)
De novo design of a non-local β-sheet protein with high stability and accuracy, Marcos, Enrique, Chidyausiku Tamuka M., McShan Andrew C., Evangelidis Thomas, Nerli Santrupti, Carter Lauren, Nivón Lucas G., Davis Audrey, Oberdorfer Gustav, Tripsianes Konstantinos, et al. , Nature structural & molecular biology, 11/2018, Volume 25, Issue 11, p.1028 - 1034, (2018)
De novo design of a non-local β-sheet protein with high stability and accuracy, Marcos, Enrique, Chidyausiku Tamuka M., McShan Andrew C., Evangelidis Thomas, Nerli Santrupti, Carter Lauren, Nivón Lucas G., Davis Audrey, Oberdorfer Gustav, Tripsianes Konstantinos, et al. , Nature structural & molecular biology, 11/2018, Volume 25, Issue 11, p.1028 - 1034, (2018)
A deletion at ADAMTS9-MAGI1 locus is associated with psoriatic arthritis risk., Julià, Antonio, Pinto José Antonio, Gratacós Jordi, Queiró Rubén, Ferrándiz Carlos, Fonseca Eduardo, Montilla Carlos, Torre-Alonso Juan Carlos, Puig Lluís, Venegas José Javier Pé, et al. , Ann Rheum Dis, 2015 Oct, Volume 74, p.1875-81, (2015)
A deletion at ADAMTS9-MAGI1 locus is associated with psoriatic arthritis risk., Julià, Antonio, Pinto José Antonio, Gratacós Jordi, Queiró Rubén, Ferrándiz Carlos, Fonseca Eduardo, Montilla Carlos, Torre-Alonso Juan Carlos, Puig Lluís, Venegas José Javier Pé, et al. , Ann Rheum Dis, 2015 Oct, Volume 74, p.1875-81, (2015)
A deletion at ADAMTS9-MAGI1 locus is associated with psoriatic arthritis risk., Julià, Antonio, Pinto José Antonio, Gratacós Jordi, Queiró Rubén, Ferrándiz Carlos, Fonseca Eduardo, Montilla Carlos, Torre-Alonso Juan Carlos, Puig Lluís, Venegas José Javier Pé, et al. , Ann Rheum Dis, 2015 Oct, Volume 74, p.1875-81, (2015)
A deletion at ADAMTS9-MAGI1 locus is associated with psoriatic arthritis risk., Julià, Antonio, Pinto José Antonio, Gratacós Jordi, Queiró Rubén, Ferrándiz Carlos, Fonseca Eduardo, Montilla Carlos, Torre-Alonso Juan Carlos, Puig Lluís, Venegas José Javier Pé, et al. , Ann Rheum Dis, 2015 Oct, Volume 74, p.1875-81, (2015)
A deletion at ADAMTS9-MAGI1 locus is associated with psoriatic arthritis risk., Julià, Antonio, Pinto José Antonio, Gratacós Jordi, Queiró Rubén, Ferrándiz Carlos, Fonseca Eduardo, Montilla Carlos, Torre-Alonso Juan Carlos, Puig Lluís, Venegas José Javier Pé, et al. , Ann Rheum Dis, 2015 Oct, Volume 74, p.1875-81, (2015)
Design, synthesis, and biological evaluation of dual binding site acetylcholinesterase inhibitors: new disease-modifying agents for Alzheimer’s disease., Muñoz-Ruiz, Pilar, Rubio Laura, García-Palomero Esther, Dorronsoro Isabel, del Monte-Millán María, Valenzuela Rita, Usán Paola, de Austria Celia, Bartolini Manuela, Andrisano Vincenza, et al. , J Med Chem, 2005 Nov 17, Volume 48, p.7223-33, (2005)
Design, synthesis, and biological evaluation of dual binding site acetylcholinesterase inhibitors: new disease-modifying agents for Alzheimer’s disease., Muñoz-Ruiz, Pilar, Rubio Laura, García-Palomero Esther, Dorronsoro Isabel, del Monte-Millán María, Valenzuela Rita, Usán Paola, de Austria Celia, Bartolini Manuela, Andrisano Vincenza, et al. , J Med Chem, 2005 Nov 17, Volume 48, p.7223-33, (2005)
Design, synthesis, and biological evaluation of dual binding site acetylcholinesterase inhibitors: new disease-modifying agents for Alzheimer’s disease., Muñoz-Ruiz, Pilar, Rubio Laura, García-Palomero Esther, Dorronsoro Isabel, del Monte-Millán María, Valenzuela Rita, Usán Paola, de Austria Celia, Bartolini Manuela, Andrisano Vincenza, et al. , J Med Chem, 2005 Nov 17, Volume 48, p.7223-33, (2005)
DFFR: A New Method for High-Throughput Recalibration of Automatic Force-Fields for Drugs, Moreno, David, Zivanovic Sanja, Colizzi Francesco, Hospital Adam, Aranda Juan, Soliva Robert, and Orozco Modesto , Journal of Chemical Theory and Computation, 08/2020, (2020)
Differential stability of 2’F-ANA*RNA and ANA*RNA hybrid duplexes: roles of structure, pseudohydrogen bonding, hydration, ion uptake and flexibility., Watts, Jonathan K., Martín-Pintado Nerea, Gómez-Pinto Irene, Schwartzentruber Jeremy, Portella Guillem, Orozco Modesto, González Carlos, and Damha Masad J. , Nucleic Acids Res, 2010 Apr, Volume 38, p.2498-511, (2010)
Dispersion and repulsion contributions to the solvation free energy: comparison of quantum mechanical and classical approaches in the polarizable continuum model., Curutchet, Carles, Orozco Modesto, F Luque Javier, Mennucci Benedetta, and Tomasi Jacopo , J Comput Chem, 2006 Nov 30, Volume 27, p.1769-80, (2006)
DNA double-strand break-derived RNA drives TIRR/53BP1 complex dissociation, Ketley, Ruth F., Battistini Federica, Alagia Adele, Mondielli Clémence, Iehl Florence, Balikçi Esra, Huber Kilian V. M., Orozco Modesto, and Gullerova Monika , Cell Reports, 10/2022, Volume 41, Issue 4, (2022)
A DNA methylation map of human cancer at single base-pair resolution, Vidal, E, Sayols S, Moran S, Guillaumet-Adkins A, Schroeder M P., Royo R, Orozco Modesto, Gut M, Gut I, Lopez-Bigas N, et al. , Oncogene, 06/2017, p.1-10, (2017)
DNA structure directs positioning of the mitochondrial genome packaging protein Abf2p, Chakraborty, Arka, Lyonnais Sébastien, Battistini Federica, Hospital Adam, Medici Giorgio, Prohens Rafel, Orozco Modesto, Vilardell Josep, and Solà Maria , Nucleic Acids Research, 11/2016, (2016)
Dramatic effect of furanose C2’ substitution on structure and stability: directing the folding of the human telomeric quadruplex with a single fluorine atom., Martín-Pintado, Nerea, Yahyaee-Anzahaee Maryam, Deleavey Glen F., Portella Guillem, Orozco Modesto, Damha Masad J., and González Carlos , J Am Chem Soc, 2013 Apr 10, Volume 135, p.5344-7, (2013)

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